srDFT_G2/Data/data_last/G2_HF_VTZ_LDA_valence.dat
2019-03-21 17:42:05 +01:00

68 lines
1.3 KiB
Plaintext

Be -14.6566068819
BeH -15.2364628057
C -37.7897441527
C2H2 -77.2183394824
C2H4 -78.471504315
C2H6 -79.7103042461
CH -38.4229370996
CH2_1A1 -39.0770591985
CH2_3B1 -39.0907260226
CH3 -39.7772016332
CH3Cl -499.619183077
CH4 -40.4566239573
CN -92.6022414518
CO -113.198844882
CO2 -188.402314456
CS -435.733761356
Cl -459.706761935
Cl2 -919.50234214
ClF -559.455898152
ClO -534.800701598
F -99.656865927
F2 -199.373333272
H -0.49980981
H2CO -114.380168661
H2O -76.3650764733
H2O2 -151.42000264
H2S -398.964230042
H3COH -115.599316376
H3CSH -438.213877426
HCN -93.3116900701
HCO -113.726814387
HCl -460.375258436
HF -100.379092995
HOCl -535.4634564
Li -7.4713093384
Li2 -14.9816036961
LiF -107.345797221
LiH -8.0634310249
N -54.5281288942
N2 -109.415683502
N2H4 -111.741123973
NH -55.1588957023
NH2 -55.8156038179
NH3 -56.4982078656
NO -129.766516468
Na -162.067943963
Na2 -324.163344912
NaCl -621.928394184
O -74.9989334647
O2 -150.18608751
OH -75.6672129346
P -340.833195887
P2 -681.849100706
PH2 -342.07518142
PH3 -342.713125538
S -397.676434119
S2 -795.515612167
SO -472.865023716
SO2 -548.059380598
Si -288.940876743
Si2 -577.996608911
Si2H6 -581.725831354
SiH2_1A1 -290.182988451
SiH2_3B1 -290.149190673
SiH3 -290.799171598
SiH4 -291.452487909
SiO -364.237369682